Alinidine , CAS No.33178-86-8

CAS: 33178-86-8 Cat. No.: A353850 Molecular Weight: 270.16 EC Number: 636-481-4

Synonyms

ALINIDINE [MART.] | ALINIDINE [MI] | ST-567-BR | N-Allyl-N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine # | ST-567 | BDBM85231 | 2-[N-allyl-N-(2,6-dichloro-phenyl)-amino]-2-imidazoline | Alinidin | J-019070 | ST 567 BR (AS HYDROBROMIDE) | ALINIDIN

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Alinidine is an HCN Channel blocker of neuronal Ih, related cardiac If channels and ATP-sensitive Kir channels. It is an analog of clonidine; bradycardic and antiarrhythmic agent (sinus tachyarrhythmias). Alinidine affects physiological markers in conscious dogs. Alinidine in four intravenous (i.v.) injections of 0.5, 0.5, 1, and 2 mg/kg, decreased sinus rate (< or = 43%) and ventricular rate (< or = 44%), but increased atrial rate (< or = 31%). It lengthened CSRT (< or = 71%) at the two highest doses and increased AERP (< or = 33%) and decreased WP (< or = 33%) at all doses. Alinidine did not modify mean blood pressure at any dose in either group. These results indicate that alinidine exhibits electrophysiologic effects in conscious dogs that reflect the marked antiarrhythmic potential of this agent, apart from its assumed antiischemic properties.

Specifications

Synonyms

ALINIDINE [MART.] | ALINIDINE [MI] | ST-567-BR | N-Allyl-N-(2, 6-dichlorophenyl)-4, 5-dihydro-1H-imidazol-2-amine # | ST-567 | BDBM85231 | 2-[N-allyl-N-(2, 6-dichloro-phenyl)-amino]-2-imidazoline | Alinidin | J-019070 | ST 567 BR (AS HYDROBROMIDE) | ALINIDIN

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: C=CCN(C1=C(C=CC=C1Cl)Cl)C2=NCCN2
• IUPAC Name: N-(2,6-dichlorophenyl)-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine
• InChIKey: OXTYVEUAQHPPMV-UHFFFAOYSA-N
• INCHI: 1S/C12H13Cl2N3/c1-2-8-17(12-15-6-7-16-12)11-9(13)4-3-5-10(11)14/h2-5H,1,6-8H2,(H,15,16)
• Isomeric SMILES: C=CCN(C1=C(C=CC=C1Cl)Cl)C2=NCCN2
• Molecular Weight: 270.16
• Reaxy-Rn: 961200
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=961200&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Aniline and substituted anilines Aryl chlorides Imidazolines Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1,3-dichlorobenzene - Aniline or substituted anilines - Aryl chloride - Aryl halide - 2-imidazoline - Guanidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in DMSO: >10 mg/mL
• Molecular Weight: 270.150 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 269.049 Da
• Monoisotopic Mass: 269.049 Da
• Topological Polar Surface Area: 27.600 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 296.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1